Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM193742
Substrate
n/a
Meas. Tech.
In vitro Carbonic Anhydrase Inhibition Assay
Ki
203± 23 nM
Citation
 Mert, S; Alim, Z; Isgör, MM; Beydemir, Å¿; Kasimogullari, R The synthesis of novel pyrazole-3,4-dicarboxamides bearing 5-amino-1,3,4-thiadiazole-2-sulfonamide moiety with effective inhibitory activity against the isoforms of human cytosolic carbonic anhydrase I and II. Bioorg Chem 68:64-71 (2016) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
  
Inhibitor
Name:
BDBM193742
Synonyms:
Diethyl 2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl)-1H-pyrazol-1-yl)phenyl)hydrazono)malonate (10)
Type:
Small organic molecule
Emp. Form.:
C28H26N12O10S4
Mol. Mass.:
818.84
SMILES:
[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]/[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6]
Structure:
Search PDB for entries with ligand similarity: